SCHEMBL17016776

SCHEMBL17016776

CCOc1ccc(-c2ccc(/C=C/CF)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ FGFR2 P21802 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ RELA Q04206 1/20 0.34
▸ TNFRSF1A P19438 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TUBB4A P04350 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17016783 0.87 TUBB1 (0.34) TUBB1KMT2AKDM4EGAAFGFR2
SCHEMBL23870623 0.85 TUBB1 (0.39) TUBB1KMT2AKDM4EGAAFGFR2
SCHEMBL17017025 0.83 S1PR1 (0.36) ALDH1A1AHR
SCHEMBL17016915 0.81 TUBB1 (0.36) TUBB1KMT2AKDM4EGAAFGFR2
SCHEMBL1242705 0.81 DRD1 (0.48) TUBB1KMT2AKDM4EGAAFGFR2
SCHEMBL17017057 0.81 PTPN2 (0.39) HPGDAHR
SCHEMBL17021050 0.80 FFAR4 (0.37) KMT2AFGFR2FGFR1TP53FPR2
SCHEMBL12907042 0.80 TUBB1 (0.46) TUBB1KMT2AKDM4EGAAFGFR2
SCHEMBL17016787 0.80 FFAR4 (0.37) KMT2AFGFR2FGFR1TP53FPR2
SCHEMBL17016798 0.79 HPGD (0.33) TUBB1FGFR2FGFR1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-9404040-B2 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-08-02 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — US disclosed
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-08-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150232759-A1 Liquid crystal compound having fluorine-containing alkenyl terminal group, liquid crystal composition and liquid crystal display device PYM1, CXCR1, LEO1 TUBB1 2393/4885KMT2A 1895/4885KDM4E 2306/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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